SCHEMBL3789063

SCHEMBL3789063

CCSc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOA P21397 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5049871 0.87 TDP1 (0.41) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL3781489 0.86 MAOA (0.46) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL3785440 0.86 MEN1 (0.47) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL3789358 0.83 ALDH1A1 (0.42) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3789297 0.79 MAPT (0.57) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL29565819 0.76 MEN1 (0.58) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2857496 0.76 MEN1 (0.58) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3786340 0.75 POLB (0.43) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL28007974 0.75 ACMSD (0.53) MAPTPTGS2IKBKB
SCHEMBL3790365 0.74 KDM4E (0.55) MAPTMEN1KMT2AHSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885MEN1 174/4885KMT2A 1474/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.